1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine

C17H22N4 — CID 116650350

IUPAC1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCCc1cc(NC2CCCc3cc(N)ccc32)nc(C)n1
InChIInChI=1S/C17H22N4/c1-3-14-10-17(20-11(2)19-14)21-16-6-4-5-12-9-13(18)7-8-15(12)16/h7-10,16H,3-6,18H2,1-2H3,(H,19,20,21)
InChIKeyNZQSDNJLAKOWFU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds3

About 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine

1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine (PubChem CID 116650350) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
PubChem CID116650350
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESCCc1cc(NC2CCCc3cc(N)ccc32)nc(C)n1
InChIInChI=1S/C17H22N4/c1-3-14-10-17(20-11(2)19-14)21-16-6-4-5-12-9-13(18)7-8-15(12)16/h7-10,16H,3-6,18H2,1-2H3,(H,19,20,21)
InChIKeyNZQSDNJLAKOWFU-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2-aminoethyl)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyrimidin-4-amine
CID 56710013
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114770250
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654
1-N-(3-propyl-1,2,4-thiadiazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650369
1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 107886838
4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136978760
1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742028
1-N-(5-chloropyrimidin-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650411
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
CID 80797635
1-N-(4-bromo-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650283
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 116649717
1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 106660945

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine (CID 116650350) is 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine is CCc1cc(NC2CCCc3cc(N)ccc32)nc(C)n1.
What is the InChIKey of 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The InChIKey is NZQSDNJLAKOWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-14-10-17(20-11(2)19-14)21-16-6-4-5-12-9-13(18)7-8-15(12)16/h7-10,16H,3-6,18H2,1-2H3,(H,19,20,21).
What are the key properties of 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 116650350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).